2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide

C17H13ClF4N2O2 — CID 113172454

IUPAC2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H13ClF4N2O2/c1-10(25)24(13-6-7-15(19)14(18)8-13)9-16(26)23-12-4-2-11(3-5-12)17(20,21)22/h2-8H,9H2,1H3,(H,23,26)
InChIKeyLQRHEYAEEYYYTH-UHFFFAOYSA-N
MW388.75 g/mol
LogP4.49
Rot. Bonds4

About 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 113172454) has the molecular formula C17H13ClF4N2O2 and a molecular weight of 388.75 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID113172454
Molecular FormulaC17H13ClF4N2O2
Molecular Weight388.75 g/mol
Exact Mass388.06
IUPAC Name2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H13ClF4N2O2/c1-10(25)24(13-6-7-15(19)14(18)8-13)9-16(26)23-12-4-2-11(3-5-12)17(20,21)22/h2-8H,9H2,1H3,(H,23,26)
InChIKeyLQRHEYAEEYYYTH-UHFFFAOYSA-N
XLogP4.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.75
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide
CID 113172443
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide
CID 113172392
2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113175504
2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113175826
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 113172264
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide
CID 113175364
methyl 4-[acetyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 113176468
2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113181670
2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180038
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide
CID 113175341
methyl 3-[acetyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 113176312
2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113170050

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 113172454) is 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide is CC(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LQRHEYAEEYYYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF4N2O2/c1-10(25)24(13-6-7-15(19)14(18)8-13)9-16(26)23-12-4-2-11(3-5-12)17(20,21)22/h2-8H,9H2,1H3,(H,23,26).
What are the key properties of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 388.75 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113172454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).